Senior Director of Computational Chemistry

Nimbus is recruiting a senior Computational Medicinal Chemist who will be working within and across multi-disciplinary teams to help establish our growing computational chemistry department. The successful candidate will be a subject matter expert with all aspects of computational chemistry applied to small molecule drug discovery including traditional protein-ligand docking, quantum mechanics, ligand-based optimization methods, cheminformatics, QSAR, and deep/machine learning to lead optimization. The qualified candidate will be a creative problem solver with a passion for drug discovery and a track record of applying computational chemistry and cheminformatics to solve problems at all stages of the discovery process using computational tools from across the industry. In addition to helping build our computational chemistry team, the candidate is also expected to apply computational chemistry to help advance our discovery portfolio. Our successful candidate will be a clear communicator, an enthusiastic team player, and a leader that will help shape the future computational chemistry strategy at Nimbus. This role will report to Nimbus' SVP of Chemistry.

In this role, you will:

  • Working closely with medicinal chemists, design and optimize drug candidates using advanced computational techniques such as protein modeling, free energy perturbation, molecular dynamics, QSAR/machine learning models, molecular docking based on X-ray or homology models, ligand-based design, library design, diversity analysis, conformational analysis, pharmacophore modeling, and/or cheminformatics
  • Make key intellectual contributions to progress our in-house research programs and perform in silico tractability assessments to assist in the prioritization of new targets
  • Work closely with discovery scientists to identify and apply the best in silico methods to help solve key issues on their projects
  • Work closely with discovery scientists to inform, influence and prioritize their synthetic chemistry
  • Proactively identify and implement new computational chemistry and molecular modeling methods and apply them in our drug discovery and development process.
  • Help set and support strategic direction for the computational chemistry department and to make revisions when needed to adapt to advances in computational medicinal chemistry.
  • Forge relationships with subject matter experts in computational chemistry in academia and industry

These Qualifications Will Help This Role Be Successful

  • PhD in computational chemistry or chemistry, biochemistry, biophysics, or a related scientific field with a computational focus and 16+ years of experience in an industrial medicinal chemistry setting
  • Record of success as a comp chem lead on programs that progressed important novel agents into clinical trials
  • A comprehensive understanding of cheminformatics, data mining and visualization, ligand and structure-based design, conformational analysis, and pharmacophore optimization
  • Experience and demonstrated understanding of all aspects of modern drug discovery including target selection, hit-finding, medicinal chemistry, DMPK principles, multi-parameter optimization, and clinical candidate selection
  • Demonstrated track record and peer reviewed publication record of applying in silico techniques to drive drug discovery projects and impacting hit finding activities in drug discovery
  • Demonstrated experience functioning within strong multi-disciplinary project teams and strategic workstreams
  • Extensive experience with scientific software such as Schrödinger/CCG/Open Eye/Cresset, Pipeline Pilot, Spotfire, as well as any other computational chemistry software
  • Experience with introducing new concepts/software/comp chem principles into previous organizations
  • Demonstrated record of external visibility (publications, presentations, organizations) in the computational chemistry community
  • Experience with programming and deep/machine learning as applied to chemistry is a plus
  • Excellent verbal and written communication and organizational skills required with demonstrated success in leading projects and interacting with cross functional teams
  • Ability to navigate, problem-solve, execute, and lead in a dynamic, fast-paced and evolving environment

A Snapshot of Nimbus 

Our Science  

At Nimbus, we design breakthrough medicines. Utilizing our powerful structure-based drug discovery engine, we create potent and selective small molecule compounds targeting proteins that are known to be fundamental drivers of pathology in highly prevalent human diseases and which have proven difficult for other drug makers to tackle. With a decade-plus track record of success, we’ve built a world-class team in both computationally driven drug discovery and early clinical development while continuing to move the needle for patients.  

Our Culture 

Nimbus is a close-knit company (our employees are Nimbi, if you are curious!) that values a fast-paced, entrepreneurial, intellectual-stimulating, and collaborative environment. We live by our Core Values: Integrity, a Passion for Excellence, Teamwork, and Authentic Communication and strive to build a community where we bring out the best in each other professionally and personally.  

Our Company 

Founded in 2009, Nimbus is a private, growing biotechnology company headquartered in Cambridge, Massachusetts. Learn more about us by going to 

Join Nimbus. We are making a difference and you can too. 

Nimbus is an equal opportunity employer. We do not discriminate on the basis of race, color, gender, gender identity, sexual orientation, age, religion, national or ethnic origin, disability, protected veteran status or any other basis protected by applicable law. Nimbus does not accept unsolicited resumes from any source other than directly from candidates. 


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